SCHEMBL4861587

SCHEMBL4861587

CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](c2ccccc2)[C@@H](N)c2ccccc2)c(C(C)C)c1.Cc1cc(C)c(C)c(C)c1C.[Ru]

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 1/20 0.41
PLAU P00749 11/20 0.38
PLAT P00750 4/20 0.38
F10 P00742 3/20 0.38
TDP1 Q9NUW8 1/20 0.37
FABP3 P05413 1/20 0.37
FABP4 P15090 1/20 0.37
FABP5 Q01469 1/20 0.37
GAA P10253 1/20 0.37
HDAC1 Q13547 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ST14 Q9Y5Y6 2/20 0.35
HPN P05981 1/20 0.35
HGFAC Q04756 1/20 0.35
PLG P00747 7/20 0.35
PDE4B Q07343 1/20 0.34
F2 P00734 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4863285 1.00 NR3C1 (0.41) NR3C1PLAUPLATF10TDP1
Hexamethylbenzene SCHEMBL4857417 0.95 NR3C1 (0.44) NR3C1PLAUPLATF10TDP1
Hexamethylbenzene SCHEMBL4855077 0.95 NR3C1 (0.44) NR3C1PLAUPLATF10TDP1
SCHEMBL4861259 0.94 NR3C1 (0.42) NR3C1PLAUPLATF10TDP1
SCHEMBL4853935 0.94 NR3C1 (0.42) NR3C1PLAUPLATF10TDP1
SCHEMBL4863450 0.94 NR3C1 (0.43) NR3C1PLAUPLATF10TDP1
SCHEMBL4857005 0.94 NR3C1 (0.43) NR3C1PLAUPLATF10TDP1
Benzene SCHEMBL4859250 0.92 NR3C1 (0.46) NR3C1PLAUPLATF10TDP1
Benzene SCHEMBL4859285 0.92 NR3C1 (0.46) NR3C1PLAUPLATF10TDP1
SCHEMBL15364300 0.91 NR3C1 (0.47) NR3C1PLAUPLATF10TDP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7332622-B2 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGUKU KABUSHIKI KAISHA (JP) 2008-02-19 US disclosed
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds KANTO KAGAKU KABUSHIKI KAISHA (JP) 2005-05-12 US disclosed
EP-1512678-A1 Process for preparing optically active nitro compounds and cyano compounds Kanto Kagaku Kabushiki Kaisha (JP) 2005-03-09 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050101787-A1 Process for preparing optically active nitro compounds and cyano compounds NOS1, NOS2, NOX1 NR3C1 3425/4885PLAU 4771/4885PLAT 4203/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.